(2S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-4-ol

C17H17F6N3O — CID 168826647

IUPAC(2S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-4-ol
SMILESC[C@H]1CC(O)(c2ccc(C(F)(F)F)cc2)C[C@@H](c2cc(C(F)(F)F)n[nH]2)N1
InChIInChI=1S/C17H17F6N3O/c1-9-7-15(27,10-2-4-11(5-3-10)16(18,19)20)8-13(24-9)12-6-14(26-25-12)17(21,22)23/h2-6,9,13,24,27H,7-8H2,1H3,(H,25,26)/t9-,13-,15?/m0/s1
InChIKeyZWFOBECGMHOELJ-BQUZEMQQSA-N
MW393.33 g/mol
LogP4.15
Rot. Bonds2

About (2S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-4-ol

(2S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-4-ol (PubChem CID 168826647) has the molecular formula C17H17F6N3O and a molecular weight of 393.33 g/mol. Its IUPAC name is (2S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-4-ol
PubChem CID168826647
Molecular FormulaC17H17F6N3O
Molecular Weight393.33 g/mol
Exact Mass393.13
IUPAC Name(2S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-4-ol
SMILESC[C@H]1CC(O)(c2ccc(C(F)(F)F)cc2)C[C@@H](c2cc(C(F)(F)F)n[nH]2)N1
InChIInChI=1S/C17H17F6N3O/c1-9-7-15(27,10-2-4-11(5-3-10)16(18,19)20)8-13(24-9)12-6-14(26-25-12)17(21,22)23/h2-6,9,13,24,27H,7-8H2,1H3,(H,25,26)/t9-,13-,15?/m0/s1
InChIKeyZWFOBECGMHOELJ-BQUZEMQQSA-N
XLogP4.15
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,6S)-2-methyl-6-[3-(oxan-4-yl)-1H-pyrazol-5-yl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826834
2-methyl-6-(2-methyl-1H-imidazol-5-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826757
(2S,6S)-2-methyl-6-(1,2-oxazol-3-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826686
(2S,6S)-2-methyl-6-(3-methyl-2-pyridinyl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826833
(2S,6S)-2-methyl-6-(3-methyl-1,2-oxazol-4-yl)-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826693
(2S,6S)-2-(2-cyclopropylpyrimidin-5-yl)-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826702
(2S,6S)-2-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826966
(2R)-3-[4-[(2S,6S)-4-hydroxy-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-yl]triazol-1-yl]propane-1,2-diol
CID 168826612
7-[(2S,6S)-4-hydroxy-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-2-yl]-3H-1,3-benzoxazol-2-one
CID 168826815
(2S,4S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[[5-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-4-ol
CID 177304115
(2S,6S)-2-[1-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)triazol-4-yl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 168826735
2-methyl-4-(4-methylphenyl)-6-(2H-triazol-4-yl)piperidin-4-ol
CID 170108311

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-4-ol?
The IUPAC name of (2S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-4-ol (CID 168826647) is (2S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-4-ol.
What is the SMILES notation for (2S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-4-ol?
The canonical SMILES for (2S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-4-ol is C[C@H]1CC(O)(c2ccc(C(F)(F)F)cc2)C[C@@H](c2cc(C(F)(F)F)n[nH]2)N1.
What is the InChIKey of (2S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-4-ol?
The InChIKey is ZWFOBECGMHOELJ-BQUZEMQQSA-N. The full InChI is InChI=1S/C17H17F6N3O/c1-9-7-15(27,10-2-4-11(5-3-10)16(18,19)20)8-13(24-9)12-6-14(26-25-12)17(21,22)23/h2-6,9,13,24,27H,7-8H2,1H3,(H,25,26)/t9-,13-,15?/m0/s1.
What are the key properties of (2S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-4-ol?
(2S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-4-ol has a molecular weight of 393.33 g/mol, XLogP of 4.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-methyl-4-[4-(trifluoromethyl)phenyl]-6-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 168826647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).